769149-73-7
4-BR-2-(2-((4-ETHYLANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE
Name4-BR-2-(2-((4-ETHYLANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE
1Identification
【Name】
4-BR-2-(2-((4-ETHYLANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE
【CAS】
【MDL】
MFCD05154040
【English Synonyms】
【Formula】
C26 H24 Br N3 O6
【MolWeight】
554.395
【Inchi】
InChI=1S/C26H24BrN3O6/c1-4-16-5-9-20(10-6-16)29-24(31)25(32)30-28-15-18-13-19(27)8-12-21(18)36-26(33)17-7-11-22(34-2)23(14-17)35-3/h5-15H,4H2,1-3H3,(H,29,31)(H,30,32)/b28-15+
【InChIKey】
InChIKey=XLLLVLJKYCWAJD-RWPZCVJISA-N
【SMILES】
CCc1ccc(cc1)NC(=O)C(=O)N/N=C/c2cc(ccc2OC(=O)c3ccc(c(c3)OC)OC)Br
【MOL File】
4-BR-2-(2-((4-ETHYLA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-((4-ETHYLANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE.cml